Basic information
- Standard SMILES
Cc1nnc(N2CCCC(N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)C2)cc1Cl- InChIKey
NZOVDKNJQSVQIY-UHFFFAOYSA-N- Molecular formula
- C24H31ClN4O3
- Average molar mass
- 459 g/mol
Names & identifiers
- Preferred name
- 3-[1-(5-Chloro-6-methylpyridazin-3-yl)piperidin-3-yl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- 3-[1-(5-chloro-6-methylpyridazin-3-yl)piperidin-3-yl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL1404197
Database identifiers
- PubChem CID
- 67019844
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Related reactions
1 records
Compound notes
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